Probing active sites in Cux Pdy cluster catalysts by machine-learning-assisted X-ray absorption spectroscopy
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F21%3A00544599" target="_blank" >RIV/61388955:_____/21:00544599 - isvavai.cz</a>
Result on the web
<a href="http://hdl.handle.net/11104/0321438" target="_blank" >http://hdl.handle.net/11104/0321438</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acsami.1c06714" target="_blank" >10.1021/acsami.1c06714</a>
Alternative languages
Result language
angličtina
Original language name
Probing active sites in Cux Pdy cluster catalysts by machine-learning-assisted X-ray absorption spectroscopy
Original language description
Size-selected clusters are important model catalysts because of their narrow size and compositional distributions, as well as enhanced activity and selectivity in many reactions. Still, their structure-activity relationships are, in general, elusive. The main reason is the difficulty in identifying and quantitatively characterizing the catalytic active site in the clusters when it is confined within subnanometric dimensions and under the continuous structural changes the clusters can undergo in reaction conditions. Using machine learning approaches for analysis of the operando X-ray absorption near-edge structure spectra, we obtained accurate speciation of the CuxPdy cluster types during the propane oxidation reaction and the structural information about each type. As a result, we elucidated the information about active species and relative roles of Cu and Pd in the clusters.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10403 - Physical chemistry
Result continuities
Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2021
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
ACS Applied Materials and Interfaces
ISSN
1944-8244
e-ISSN
1944-8252
Volume of the periodical
13
Issue of the periodical within the volume
45
Country of publishing house
US - UNITED STATES
Number of pages
12
Pages from-to
53363-53374
UT code for WoS article
000752870800007
EID of the result in the Scopus database
2-s2.0-85111204787